Tag: 300-400

N-Benzylpiperidinol derivatives as novel USP7 inhibitors: structure-activity relationships and X-ray crystallographic studies was written by Li, Minglei;Liu, Shengjie;Chen, Hui;Zhou, Xinyu;Zhou, Jin;Zhou, Shuxi;Yuan, Haoliang;Xu, Qing-Long;Liu, Jun;Cheng, Keguang;Sun, Hongbin;Wang, Yue;Chen, Caiping;Wen, Xiaoan. And the article was included in European Journal of Medicinal Chemistry in 2020.Safety of tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate This article mentions the following:

Piperidinol derivatives I (R¹ = 4-FC₆H₄; R² = PhCH₂, 2-pyridyl, 2-thiazolyl, etc.) and II (R³ = Br, 4-H₂NCH₂C₆H₄, 4-AcNHCH₂C₆H₄CH₂, 4-BocNHCH₂C₆H₄; R⁴ = 2-Cl-4-MeO₂CC₆H₃CH₂) were designed, synthesized and biol. evaluated, and the compound II [R³ = 4-H₂NCH₂C₆H₄; R⁴ = 2-Cl-4-MeO₂CC₆H₃CH₂; (III)] was identified as a highly selective and potent USP7 inhibitor (IC₅₀ = 40.8 nM, K_D = 78.3 nM). X-Ray crystallog. studies revealed that the compound III bound to USP7 with a new pose that was very different than the previously reported inhibitors. The results of cellular assays showed that the compound III had strong antitumor activity against LNCaP (IC₅₀ = 29.6 nM) and RS4; 11 (IC₅₀ = 41.6 nM) cells, probably through inducing cell death and restricting G0/G1 and S phases. Moreover, III dose-dependently reduced the protein levels of MDM2 and DNMT1 and increased the protein levels of p53 and p21. In the experiment, the researchers used many compounds, for example, tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate (cas: 330794-35-9Safety of tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate).

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate (cas: 330794-35-9) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Safety of tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

PAEs and PBDEs in plastic fragments and wetland sediments in Yangtze estuary was written by Deng, Hua;Li, Ruilong;Yan, Beizhan;Li, Bowen;Chen, Qiqing;Hu, Hui;Xu, Yong;Shi, Huahong. And the article was included in Journal of Hazardous Materials in 2021.Quality Control of Dicyclohexyl phthalate This article mentions the following:

Phthalates (PAEs) and polybrominated di-Ph ethers (PBDEs) are widely used as additives in various plastic products. Because of their ubiquity and potential hazards to the environment, they have attracted widespread attention. This research supports the addition critical data of the concentration and distribution of PAEs and PBDEs in the plastic fragments and wetland sediments in Yangtze Estuary. The concentrations of 鍗?PAEs and 鍗?PBDEs in the plastic samples in Yangtze Estuary wetlands were 26.8-4241.8娓璯/g and n.d. (no detectable) to 250.1娓璯/g, resp. The sixteen PAEs and eight PBDEs varied from 35.9 to 36225.2 ng/g and 3.9-253.0 ng/g in sediment samples. The dominant types of these chems. in plastic and sediment samples were diisobutyl phthalate (DIBP), di-Bu phthalate (DBP), dioctyl phthalate (DEHP) and BDE-209. According to correlation anal. and principal component anal., the major sources of additives in sediment were associated with the leak from plastic fragment and microplastic. Based on the equilibrium partitioning theory and Sediment Quality Guidelines (SeQGs), the ecol. risk of PAEs (high risk) and PBDEs (moderate risk) were evaluated. Overall, the investigated area has been moderately polluted by additives and microplastics; therefore, it is necessary to strengthen the control of environmental input of plastic waste. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Quality Control of Dicyclohexyl phthalate).

Dicyclohexyl phthalate (cas: 84-61-7) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Quality Control of Dicyclohexyl phthalate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Total Synthesis of the Flavonoid Natural Product Houttuynoid A was written by Jian, Jie;Fan, Jilin;Yang, Hui;Lan, Ping;Li, Manmei;Liu, Peijun;Gao, Hao;Sun, Pinghua. And the article was included in Journal of Natural Products in 2018.Reference of 4163-60-4 This article mentions the following:

The first total synthesis of the antiviral flavonoid houttuynoid A (I) has been achieved from 2,4-bis(benzyloxy)-6-hydroxyacetophenone and a benzofuran aldehyde in nine linear steps. The C₆-C₃-C₆ structure of the flavonoid was synthesized by an I₂-catalyzed oxa-Michael addition of a chalcone intermediate, generated by Claisen-Schmidt condensation. This work provides a method for the synthesis of houttuynoids and provides a reference for the synthesis of the remaining members of the houttuynoid family. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4Reference of 4163-60-4).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Reference of 4163-60-4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors was written by Janssen, Antonius P. A.;van Hengst, Jacob M. A.;Bequignon, Olivier J. M.;Deng, Hui;van Westen, Gerard J. P.;van der Stelt, Mario. And the article was included in Journal of Medicinal Chemistry in 2019.Application of 87694-53-9 This article mentions the following:

Drug discovery programs of covalent irreversible, mechanism-based enzyme inhibitors often focus on optimization of potency as determined by IC₅₀-values in biochem. assays. These assays do not allow the characterization of the binding activity (K_i) and reactivity (k_inact) as individual kinetic parameters of the covalent inhibitors. Here, we report the development of a kinetic substrate assay to study the influence of the acidity (pK_a) of heterocyclic leaving group of triazole urea derivatives as diacylglycerol lipase (DAGL)-浼?inhibitors. Surprisingly, we found that the reactivity of the inhibitors did not correlate with the pK_a of the leaving group, whereas the position of the nitrogen atoms in the heterocyclic core determined to a large extent the binding activity of the inhibitor. This finding was confirmed and clarified by mol. dynamics simulations on the covalently bound Michaelis-Menten complex. A deeper understanding of the binding properties of covalent serine hydrolase inhibitors is expected to aid in the discovery and development of more selective covalent inhibitors. In the experiment, the researchers used many compounds, for example, (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9Application of 87694-53-9).

(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Application of 87694-53-9

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Phthalates and non-phthalate plasticizers in Tunisian marine samples: Occurrence, spatial distribution and seasonal variation was written by Jebara, Amel;Albergamo, Ambrogina;Rando, Rossana;Potorti, Angela Giorgia;Lo Turco, Vincenzo;Mansour, Hedi Ben;Di Bella, Giuseppa. And the article was included in Marine Pollution Bulletin in 2021.Computed Properties of C20H26O4 This article mentions the following:

Seawater, sediment, seagrass and fish from several sites along the Tunisian coast were monitored for several phthalate esters (PAEs) and non-phthalate plasticizers (NPPs) during 2018-2019. In water and sediment, NPPs were higher than PAEs, being di(2-ethylhexyl) phthalate (DEHP, 0.0717 and 4.59娓璯/g), and di(2-ethylhexyl) terephthalate (DEHT, 0.634 and 2.42娓璯/g) most abundant. As expected, sediments acted as a sink for plasticizers, thus revealing a stronger contamination than water. Seagrass was less contaminated than fish, being DEHP (0.726 and 1.77娓璯/g) and DEHT (9.19 and 23.2娓璯/g) predominant. Biota poorly concductivity/accumulated plasticizers from water and sediment depending on the logKoct/wat and water solubility of single congeners. The spatial distribution of plasticizers was affected by the proximity to anthropogenic sources and the rate of coastal currents; whereas their seasonal variation may be related to the length of time of touristic/industrial inputs and factors such as rainfall and urban stormwater runoff. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Computed Properties of C20H26O4).

Dicyclohexyl phthalate (cas: 84-61-7) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Computed Properties of C20H26O4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Accumulation and translocation of traditional and novel organophosphate esters and phthalic acid esters in plants during the whole life cycle was written by Fan, Yun;Zeng, Yuan;Huang, Yu-Qi;Guan, Yu-Feng;Sun, Yu-Xin;Chen, She-Jun;Mai, Bi-Xian. And the article was included in Chemosphere in 2022.Synthetic Route of C20H26O4 This article mentions the following:

Organophosphate esters (OPEs) and phthalic acid esters (PAEs) are widespread contaminants in the environment. The variations of these chems. in plants throughout their life cycle is little known. In this study, OPEs, OPE metabolites, and PAEs in peanut and corn grown under field conditions, soil, and air were measured to understand the uptake and translocation, distributions in the plant compartments, and metabolism in the plants. The soil concentrations showed an enrichment effect of OPEs onto the rhizosphere soil but a depletion effect of PAEs on rhizosphere soils. The PAE concentrations between peanut (with a mean of 1295 ng/g dw) and corn (3339 ng/g dw) were significantly different, but the OPE concentrations were not significantly different (with means of 15.6 and 19.2 ng/g dw, resp.). OPE metabolites were also detected in the plants, with lower concentrations and detection rates. Similarities and differences in the temporal variations of the concentrations of traditional OPEs, novel OPEs, and PAEs in plants during their growth were observed The variations were dependent on both plant species and particular tissues. The leaf compartment is the most important reservoir of OPEs and PAEs (but not OPE metabolites) for both species, highlighting the importance of an aerial uptake pathway. The chems. have a low potential to be translocated into peanut and corn kernels, reducing their risks via food consumption. Less hydrophobic compounds have higher root concentration factors in this study. These observations differ from those of previous hydroponic experiments In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Synthetic Route of C20H26O4).

Dicyclohexyl phthalate (cas: 84-61-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Synthetic Route of C20H26O4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Rapid phenolic O-glycosylation of small molecules and complex unprotected peptides in aqueous solvent was written by Wadzinski, Tyler J.;Steinauer, Angela;Hie, Liana;Pelletier, Guillaume;Schepartz, Alanna;Miller, Scott J.. And the article was included in Nature Chemistry in 2018.Formula: C16H22O11 This article mentions the following:

Glycosylated natural products and synthetic glycopeptides represent a significant and growing source of biochem. probes and therapeutic agents. However, methods that enable the aqueous glycosylation of endogenous amino acid functionality in peptides without the use of protecting groups are scarce. Here, we report a transformation that facilitates the efficient aqueous O-glycosylation of phenolic functionality in a wide range of small mols., unprotected tyrosine, and tyrosine residues embedded within a range of complex, fully unprotected peptides. The transformation, which uses glycosyl fluoride donors and is promoted by Ca(OH)₂, proceeds rapidly at room temperature in water, with good yields and selective formation of unique anomeric products depending on the stereochem. of the glycosyl donor. High functional group tolerance is observed, and the phenol glycosylation occurs selectively in the presence of virtually all side chains of the proteinogenic amino acids with the singular exception of Cys. This method offers a highly selective, efficient, and operationally simple approach for the protecting-group-free synthesis of O-aryl glycosides and Tyr-O-glycosylated peptides in water. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4Formula: C16H22O11).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Formula: C16H22O11

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

“Bottom-Up” Fabrication of BODIPY-Functionalized Fluorescent Hyperbranched Glycopolymers for Hepatoma-Targeted Imaging was written by Sun, Pei;Deng, Hongping;Zhou, Linzhu;Wu, Yan;Jin, Xin;Tong, Gangsheng;Yu, Xuemei. And the article was included in Macromolecular Bioscience in 2018.Reference of 4163-60-4 This article mentions the following:

A novel type of multivalent and highly specific fluorescent hyperbranched glycopolymers h-P(GalEA-co-VBPT-co-BYMA) (hPGVB) is designed and prepared successfully via a facile “bottom-up” strategy. The acetylated hPGVB is prepared by one-pot reversible addition-fragmentation chain transfer (RAFT) copolymerization of acrylate-type galactose monomers AcGalEA and methacrylate-type fluorescent monomers BYMA in presence of an inimer-type RAFT chain transfer agent. After deacetylation, the resulting amphiphilic hPGVB can self-assemble into stable nanoparticles in aqueous media, showing strong green fluorescence with relative high quantum yields and good photostability. The cell viability study indicates the excellent biocompatibility of the hPGVB fluorescent nanoparticles (FNPs) against HepG2 and NIH3T3 cells. More importantly, comparing with the galactose-free fluorescent hyperbranched polymers h-P(OEGMA-co-VBPT-co-BYMA), hPEVB FNPs can be selectively internalized by asialoglycoprotein (ASGP) receptor-rich HepG2 cells, indicating their potential application in the bioimaging fields. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4Reference of 4163-60-4).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Reference of 4163-60-4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Development of a green alternative vortex-assisted dispersive liquid-liquid microextraction based on natural hydrophobic deep eutectic solvents for the analysis of phthalate esters in soft drinks was written by Santana-Mayor, Alvaro;Herrera-Herrera, Antonio V.;Rodriguez-Ramos, Ruth;Socas-Rodriguez, Barbara;Rodriguez-Delgado, Miguel Angel. And the article was included in ACS Sustainable Chemistry & Engineering in 2021.Quality Control of Dicyclohexyl phthalate This article mentions the following:

A new green alternative vortex-assisted dispersive liquid-liquid microextraction method based on a natural hydrophobic deep eutectic solvent was developed for the extraction of 14 phthalic acid esters and one adipate in cold infusions and tonic waters. Analyses were carried out using ultra-performance liquid chromatog. coupled to tandem mass spectrometry. Different eutectic mixtures based on the monoterpene thymol (essential oil of thyme) and medium-chain fatty acids (octanoic and decanoic acids) at different molar ratios were tested in this regard. The effect of different factors affecting extraction efficiency was optimized through a systematic approach. The method was validated by means of precision, matrix-matched calibration, recovery, and repeatability studies using two different deuterated surrogate standards (di-Bu phthalate-3,4,5,6-d₄ and dihexyl phthalate-3,4,5,6-d₄). The method proved to be linear (determination coefficients were higher than 0.9912) with normalized recoveries in the range between 71 and 124% (except for di-n-octyl phthalate at a low concentration level in tonic water [63%]). Then, the method was applied for the anal. of the selected compounds in 3 pineapple/green tea-based cold infusions and 8 tonic beverages. Finally, the greenness of the procedure was assessed using the Anal. Eco-Scale. This paper represents the first application of this natural hydrophobic deep eutectic solvent for the anal. of phthalate esters, and, also the first time, these compounds are analyzed in cold infusion and tonic water. A green method was developed for the anal. of phthalate esters in soft drinks using natural hydrophobic eutectic solvents. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Quality Control of Dicyclohexyl phthalate).

Dicyclohexyl phthalate (cas: 84-61-7) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Quality Control of Dicyclohexyl phthalate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Chemical composition, phenolic content and antioxidant capacity of Haloxylon scoparium extracts was written by Haida, S.;Kribii, A.. And the article was included in South African Journal of Botany in 2020.Recommanded Product: 4163-60-4 This article mentions the following:

This work is part of the valorization of the Haloxylon scoparium plant, belonging to the Chenopodiaceae family and native to southeastern of Morocco. The aim of the present work is to study the chem. composition of this plant, to estimate the phenolic compounds contents of its extracts and to evaluate their antioxidant powers. After extraction by maceration of the aerial and root part of Haloxylon scoparium, the extracts obtained are fractionated by liquid-liquid extraction using solvents of different polarities. The best extraction yield is obtained in the aerial part 23.54% against 10.99% for the root part. The anal. carried out by the coupling of gas chromatog. with mass spectrometry (GC-MS) shows that the root part contains mainly carbohydrates, however the aerial part consists mainly of alkaloids. The total polyphenol content obtained in the root part 69.86 mg/gEAG (mg/g of gallic acid) is significantly higher than that in the aerial part 56.79 mg/g EAG. The hydrolysable tannins are the predominant polyphenols of the root part of Haloxylon scoparium corresponding to 83.87 mg/g EAT (mg/g of tannic acid). The antioxidant activity of the various extracts obtained is evaluated by two methods: the DPPH (1,1-diphenyl-2-picryl hydrazyl) free radical scavenging test and the ferric reducing antioxidant power (FRAP). The examination of the inhibitory concentration values shows that the butanolic extract of the root part is the most active with values of IC₅₀ = 0.06 mg/mL and IC_0.5 = 0.19 mg/mL resp. for the DPPH and FRAP tests. The other extracts also showed a very interesting potential as antioxidants. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4Recommanded Product: 4163-60-4).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Recommanded Product: 4163-60-4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics